(2S)-2-fluoro-4-methylpentan-1-amine

C6H14FN — CID 129375468

IUPAC(2S)-2-fluoro-4-methylpentan-1-amine
SMILESCC(C)C[C@H](F)CN
InChIInChI=1S/C6H14FN/c1-5(2)3-6(7)4-8/h5-6H,3-4,8H2,1-2H3/t6-/m0/s1
InChIKeyAHTSLFMUZQOMLX-LURJTMIESA-N
MW119.18 g/mol
LogP1.33
Rot. Bonds3

About (2S)-2-fluoro-4-methylpentan-1-amine

(2S)-2-fluoro-4-methylpentan-1-amine (PubChem CID 129375468) has the molecular formula C6H14FN and a molecular weight of 119.18 g/mol. Its IUPAC name is (2S)-2-fluoro-4-methylpentan-1-amine.

Molecular Properties

Compound Name(2S)-2-fluoro-4-methylpentan-1-amine
PubChem CID129375468
Molecular FormulaC6H14FN
Molecular Weight119.18 g/mol
Exact Mass119.11
IUPAC Name(2S)-2-fluoro-4-methylpentan-1-amine
SMILESCC(C)C[C@H](F)CN
InChIInChI=1S/C6H14FN/c1-5(2)3-6(7)4-8/h5-6H,3-4,8H2,1-2H3/t6-/m0/s1
InChIKeyAHTSLFMUZQOMLX-LURJTMIESA-N
XLogP1.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,4R)-2-fluoro-6-methylheptane-1,4-diamine
CID 176716912
(4R)-2-fluoro-6-methylheptane-1,4-diamine
CID 176716877
4-ethyl-2-fluorohexan-1-amine
CID 112562625
2-(1-fluoroethyl)-4-methylpentan-1-amine
CID 105429103
(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid
CID 46207589
2-fluoro-N,N,4-trimethylpentan-1-amine
CID 170688420
ethane;2-fluoro-1-methoxy-4-methylpentane
CID 170593191
2-fluorobutan-1-amine;hydrochloride
CID 71755419
2-methylpropan-1-amine;dihydrobromide
CID 172812560
1-amino-4,6-dimethylheptan-2-ol
CID 146604976
2-N-fluoro-4-methylpentane-1,2-diamine
CID 123548414
fluoro-(2-fluoro-4-methylpentyl)-methylphosphane
CID 146579603

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-4-methylpentan-1-amine?
The IUPAC name of (2S)-2-fluoro-4-methylpentan-1-amine (CID 129375468) is (2S)-2-fluoro-4-methylpentan-1-amine.
What is the SMILES notation for (2S)-2-fluoro-4-methylpentan-1-amine?
The canonical SMILES for (2S)-2-fluoro-4-methylpentan-1-amine is CC(C)C[C@H](F)CN.
What is the InChIKey of (2S)-2-fluoro-4-methylpentan-1-amine?
The InChIKey is AHTSLFMUZQOMLX-LURJTMIESA-N. The full InChI is InChI=1S/C6H14FN/c1-5(2)3-6(7)4-8/h5-6H,3-4,8H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2-fluoro-4-methylpentan-1-amine?
(2S)-2-fluoro-4-methylpentan-1-amine has a molecular weight of 119.18 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-4-methylpentan-1-amine is sourced from PubChem (CID 129375468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).